* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    127    196     367
    1     0 S   NP   _N1_     1    28.59711    95.35771   -20.86168
    2     1 S   H    _HN1     2     1.02854    83.57057    -8.58801
    3     1 S   H    _H1_     3     1.02971    36.15819   122.76186
    4     1 S   H    _H2_     4     1.02785    90.58781  -116.91615
    5     1 S   CT   _CA1     5     1.50593   145.55256   110.16766
    6     5 S   HC   _HA1     6     1.09689   104.59312    71.74358
    7     5 S   CO3  _C1_     7     1.54472   110.78876   -43.95144
    8     7 S   O2Z  _O11     8     1.25992   116.74862  -122.51511
    9     7 S   O2Z  _O12     9     1.26607   113.69918    56.23722
   10     5 S   CT   _CB1    10     1.53144   106.92040  -172.08959
   11    10 S   HC   HB11    11     1.09840   110.06893   -40.50065
   12    10 S   HC   HB12    12     1.09772   110.15456    76.18573
   13    10 S   CT   _CG1    13     1.52987   112.35955  -161.00581
   14    13 S   HC   HG11    14     1.09496   110.91417   -57.40170
   15    13 S   HC   HG12    15     1.09631   109.65243    61.75447
   16    13 S   C    _CD1    16     1.51774   112.34094  -178.07136
   17    16 S   O    _OE1    17     1.22711   123.32979     0.25944
   18    16 S   N    _N2_    18     1.38579   111.56722  -179.87028
   19    18 S   H    _HN2    19     1.01467   118.98535     2.71296
   20    18 S   CT1  _CA2    20     1.46258   123.58446  -177.43532
   21    20 S   HC   _HA2    21     1.09694   109.39889     0.14537
   22    20 S   C    _C2_    22     1.53510   108.83948  -116.14312
   23    22 S   O    _O2_    23     1.23066   121.97107  -149.45103
   24    20 S   CT   _CB2    32     1.53676   111.26461   122.02910
   25    24 S   HC   HB21    33     1.09050   108.38220    63.12299
   26    24 S   HC   HB22    34     1.09480   110.23508  -178.95208
   27    22 S   N    _N3_    24     1.38411   113.83713    37.60862
   28    27 S   H    _HN3    25     1.01475   118.99414    -0.14402
   29    24 S   S    _SG2    35     1.82857   111.33471   -58.76096
   30    27 S   CT   _CA3    26     1.45427   123.41028   175.82261
   31    30 S   HC   HA31    27     1.09527   109.21007    26.14629
   32    30 S   HC   HA32    28     1.09493   107.14691   143.12020
   33    29 S   CT   _C19    36     1.87796   102.77520   161.12126
   34    30 S   CO3  _C3_    29     1.52887   112.96455   -97.38936
   35    34 S   O2Z  _O31    30     1.26420   115.29561   -48.21015
   36    34 S   O2Z  _O32    31     1.26341   115.07496   132.65293
   37    33 S   CT   _C15    37     1.54476   106.80675    64.88030
   38    37 S   HC   _H28    38     1.09548   111.73593   -70.16830
   39    37 S   HC   _H29    39     1.09615   111.26955   170.17465
   40    37 S   HC   _H30    40     1.09665   111.87160    51.16417
   41    33 S   CT   _C16    41     1.54862   103.45560   179.48187
   42    41 S   HC   _H31    42     1.09607   111.95293    64.83510
   43    41 S   HC   _H32    43     1.09743   111.71655   -56.16211
   44    41 S   HC   _H33    44     1.09598   111.60109  -174.70754
   45    33 S   CT   _C18    45     1.58902   113.09528   -57.90873
   46    45 S   OM   _O17    46     1.32939   109.36774  -172.94840
   47    45 S   HC   _H36    47     1.09655   106.07193    61.23780
   48    45 S   CT   _C17    48     1.55960   113.59669   -53.89413
   49    48 S   HC   _H34    49     1.09855   112.34780   -77.44414
   50    48 S   HC   _H35    50     1.09553   110.57382    42.35300
   51    48 S   OS   _O21    51     1.44531   108.63377   163.02342
   52    51 S   CA   _C11    52     1.37891   111.51056  -138.40296
   53    52 S   C56B _C7_    53     1.41249   121.28103   -73.88223
   54    52 S   CA   _C8_    63     1.40894   119.23344   109.53255
   55    53 S   C5B  _C4_    54     1.42171   136.16372     1.59090
   56    55 S   HA   _H23    55     1.08069   127.51766     0.10087
   57    54 S   CM   _C12    64     1.45848   122.95222    -2.07688
   58    57 S   HC   _H26    65     1.08437   119.10828     1.96682
   59    55 S   C5A  _C6_    56     1.37514   106.52434   179.69290
   60    59 S   HA   _H25    57     1.08031   133.77114  -179.35563
   61    57 S   CM   _C13    66     1.33509   120.87209  -177.78424
   62    61 S   HC   _H27    67     1.08438   120.84842   179.50268
   63    59 S   OA   _O19    58     1.35772   110.67923     0.43611
   64    61 S   CO4  _C14    68     1.47146   121.97855    -0.66500
   65    64 S   O    _O18    69     1.22563   121.30881  -179.94766
   66    53 S   C56A _C9_    59     1.39173   118.34334  -178.23952
   67    70 S   OS   _O20    70     1.41528   116.13584  -179.58082
   68    66 S   CA   _C5_    60     1.39153   124.35841     0.23821
   69    68 S   HA   _H24    61     1.08293   121.97553  -179.59410
   70    68 S   CA   _C10    62     1.39783   115.50365     0.57573
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  15   2   1   1  11   4   3   2   7   3   2   1   7   5   4   6
   3   2   7  13  11  11   6   4   8   4   4   2   5   3   4   4
   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51    52  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54  
   50    51    52  
   51    52  
   52    53    55    66    70    54    57  
   53    55    56    59    63    66    68    70    54    57    58    61    67  
   55    56    59    60    63    66    68    69    70    54    57  
   57    58    61    62    64    67    55    66    68    69    70  
   56    59    60    63    66    68  
   59    60    63    66  
   58    61    62    64    65    67    68    70  
   61    62    64    70  
   60    63    66    68  
   63    66  
   62    64    65    67    70  
   64    65    67  
   66    68    69    70  
   65    67    68    70  
   67    70  
   68    69    70    67  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.010800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.035400   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.514600   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.241900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.079700   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.171600   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   570.000  1.307
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   320.000  1.410
   51    52   450.000  1.364
   52    53   469.000  1.404
   52    54   469.000  1.400
   53    55   380.000  1.440
   53    66   447.000  1.419
   55    56   367.000  1.080
   55    59   520.000  1.370
   59    60   367.000  1.080
   59    63   340.000  1.360
   63    66   425.000  1.380
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    54   469.000  1.400
   70    67   450.000  1.364
   54    57   320.000  1.460
   57    58   340.000  1.080
   57    61   549.000  1.340
   61    62   340.000  1.080
   61    64   320.000  1.462
   64    65   570.000  1.229
   64    67   214.000  1.327
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    50.00000  109.50000
   33    45    47    37.50000  110.70000
   33    45    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    50.00000  109.50000
   47    45    46    45.00000  125.66300
   48    45    46    50.00000  109.50000
   48    45    47    37.50000  110.70000
   48    51    52    75.00000  111.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    70.00000  120.00000
   51    52    54    70.00000  120.00000
   52    53    55    50.00000  134.85500
   52    53    66    85.00000  116.20000
   52    54    70    63.00000  120.00000
   52    54    57    60.00000  120.93500
   53    55    56    35.00000  127.20800
   53    55    59    80.00000  105.82900
   53    66    63   100.00000  108.43400
   53    66    68    85.00000  122.70000
   55    59    60    35.00000  130.70000
   55    59    63    70.00000  108.00000
   59    55    56    35.00000  128.20000
   59    63    66   110.00000  105.28000
   63    59    60    35.00000  113.40000
   63    66    68    70.00000  124.10000
   66    53    55    80.00000  107.43600
   66    68    69    35.00000  120.00000
   66    68    70    85.00000  120.00000
   68    70    54    63.00000  120.00000
   68    70    67    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    54    57    60.00000  120.93500
   70    67    64    85.00000  115.98000
   54    52    53    63.00000  120.00000
   54    57    58    40.00000  117.26300
   54    57    61    60.00000  123.20500
   57    61    62    35.00000  120.00000
   57    61    64    65.00000  118.96000
   61    57    58    35.00000  120.00000
   61    64    65    80.00000  123.72100
   61    64    67    90.00000  111.29400
   64    61    62    40.00000  117.72500
   67    70    54    70.00000  120.00000
   67    64    65    83.00000  123.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.56750  1.0 1.0
   29    33    45    46  -0.07550 -1.0 2.0
   29    33    45    46   0.20000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.44750  1.0 1.0
   29    33    45    48  -0.17800 -1.0 2.0
   29    33    45    48   0.20200  1.0 3.0
   33    45    48    49   0.15000  1.0 3.0
   33    45    48    50   0.15000  1.0 3.0
   33    45    48    51   0.62750  1.0 1.0
   33    45    48    51  -0.30950 -1.0 2.0
   33    45    48    51   0.27300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.62750  1.0 1.0
   37    33    45    46  -0.30950 -1.0 2.0
   37    33    45    46   0.27300  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48   0.56750  1.0 1.0
   37    33    45    48  -0.07550 -1.0 2.0
   37    33    45    48   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.62750  1.0 1.0
   41    33    45    46  -0.30950 -1.0 2.0
   41    33    45    46   0.27300  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48   0.56750  1.0 1.0
   41    33    45    48  -0.07550 -1.0 2.0
   41    33    45    48   0.20000  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    51    52  -0.32850  1.0 1.0
   45    48    51    52  -0.35800 -1.0 2.0
   45    48    51    52   0.33950  1.0 3.0
   46    45    48    49   0.23400  1.0 3.0
   46    45    48    50   0.23400  1.0 3.0
   46    45    48    51   1.11900  1.0 1.0
   46    45    48    51  -1.16350 -1.0 2.0
   46    45    48    51  -0.34150  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.23400  1.0 3.0
   48    51    52    53   1.63200 -1.0 2.0
   48    51    52    54   1.63200 -1.0 2.0
   49    48    51    52   0.08050  1.0 3.0
   50    48    51    52   0.08050  1.0 3.0
   51    52    53    55   3.62500 -1.0 2.0
   51    52    53    66   3.62500 -1.0 2.0
   51    52    54    70   3.62500 -1.0 2.0
   51    52    54    57   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    59   3.62500 -1.0 2.0
   52    53    66    63   3.62500 -1.0 2.0
   52    53    66    68   3.00000 -1.0 2.0
   52    54    57    58   0.56550  1.0 3.0
   52    54    57    61   0.15800  1.0 1.0
   52    54    57    61   1.85350 -1.0 2.0
   52    54    57    61  -0.48700  1.0 3.0
   53    52    54    70   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55   -59    63   3.62500 -1.0 2.0
   53    66    68    69   3.62500 -1.0 2.0
   53    66   -68    70   3.62500 -1.0 2.0
   55    53   -66    63   3.62500 -1.0 2.0
   55    53    66    68   3.00000 -1.0 2.0
   55    59   -63    66   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    63   3.62500 -1.0 2.0
   59    63   -66    53   3.62500 -1.0 2.0
   59    63    66    68   3.62500 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   63    66    68    69   3.62500 -1.0 2.0
   63    66    68    70   3.62500 -1.0 2.0
   66    53    55    56   3.50000 -1.0 2.0
   66    53   -55    59   3.50000 -1.0 2.0
   66    68    70    54   3.62500 -1.0 2.0
   66    68    70    67   3.62500 -1.0 2.0
   68    70   -54    52   3.62500 -1.0 2.0
   68    70    54    57   3.62500 -1.0 2.0
   68    70    67    64   0.01300  1.0 1.0
   68    70    67    64   0.97950 -1.0 2.0
   68    70    67    64  -0.55700  1.0 3.0
   69    68    70    54   3.62500 -1.0 2.0
   69    68    70    67   3.62500 -1.0 2.0
   70    54    57    58   0.56550  1.0 3.0
   70    54    57    61   0.15800  1.0 1.0
   70    54    57    61   1.85350 -1.0 2.0
   70    54    57    61  -0.48700  1.0 3.0
   54    52    53    55   3.62500 -1.0 2.0
   54    52   -53    66   3.50000 -1.0 2.0
   54    70    67    64   0.01300  1.0 1.0
   54    70    67    64   0.97950 -1.0 2.0
   54    70    67    64  -0.55700  1.0 3.0
   54    57    61    62   7.00000 -1.0 2.0
   54    57   -61    64   7.00000 -1.0 2.0
   57    61    64    65   1.00000 -1.0 2.0
   57    61    64    67  -0.56150  1.0 1.0
   57    61    64    67   2.19150 -1.0 2.0
   58    57    61    62   7.00000 -1.0 2.0
   58    57    61    64   7.00000 -1.0 2.0
   61    64   -67    70   2.00000 -1.0 2.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   1.63100 -1.0 2.0
   65    64    67    70   3.00000 -1.0 2.0
   67    70    54    52   3.62500 -1.0 2.0
   67    70   -54    57   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   55    66    53    52   4.00000 -1.0 2.0
   59    56    55    53   1.10000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   63    68    66    53   4.00000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   54    67    70    68   4.00000 -1.0 2.0
   70    57    54    52   4.00000 -1.0 2.0
   54    58    57    61   1.10000 -1.0 2.0
   64    62    61    57   1.10000 -1.0 2.0
   61    67    64    65  10.50000 -1.0 2.0
END
